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Molecular Dynamics Group UQ

The group focuses on understanding and predicting the macroscopic (experimentally observable) properties of biomolecular systems such as proteins, nucleic acids and lipid...

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1.3k

Organizations

  • Molecular Dynamics ... - 1341

Groups

  • GROMOS 54A7 Validat... - 5
  • Antimicrobial peptides - 2

Tags

  • solvent-H2O - 1330
  • GROMOS - 1168
  • No. atoms at least ... - 1103
  • Temperature 290-300 - 1094
  • replicate-1 of 3 - 1088
  • protein - 1046
  • Run time at least 0... - 872
  • 54A7 - 687
  • thermostat is Beren... - 381
  • barostat is Berendsen - 367

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Formats

  • log - 1340
  • top - 1107
  • pdb - 1047
  • imd - 922
  • cnf - 872
  • trc.gz - 872
  • tre.gz - 871
  • mden - 231
  • nc - 231
  • prmtop - 231

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  • Creative Commons At... - 2

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1,341 datasets found

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  • Barstar, mutant C82A

    Barstar, mutant C82A protein with GROMOS 54A8 in GROMOS (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1A19, URL:...
    • imd
    • trc.gz
    • cnf
    • log
    • tre.gz
    • top
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